Compound Detail
CHEMBL5198469
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Basic Information
| ChEMBL ID | CHEMBL5198469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLCVDQHLYHBAHR-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
1
PK Parameters
13
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
3.76
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Transcriptional coactivator YAP1 CHEMBL3334415 | IC50 | 8.99 | 8.99 | 1.0 | 1 |
| Transcriptional enhancer factor TEF-1 CHEMBL3334416 | IC50 | 8.99 | 8.99 | 1.0 | 1 |
| NCI-H226 CHEMBL614740 | IC50 | 8.52 | 8.47 | 3.0 | 2 |
| NCI-H2052 CHEMBL1075531 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 13.2 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibition of YAP/TAZ-TEAD interaction in human SK-HEP1 cells incubated for 24 h... | 35763499 |
| Transcriptional coactivator YAP1 | IC50 | = | 1.02 | nM | 8.99 | Inhibition of YAP (unknown origin) incubated for 24 hrs by Promega Dual-Lucifera... | 36063664 |
| Transcriptional enhancer factor TEF-1 | IC50 | = | 1.02 | nM | 8.99 | Inhibition of N-terminal His-tagged TEAD1 (unknown origin) (209 to 426 residues)... | 38621327 |
| NCI-H226 | IC50 | = | 3.0 | nM | 8.52 | Cytotoxicity against human NCI-H226 cells assessed as cell viability at 10 uM me... | 35763499 |
| NCI-H226 | IC50 | = | 3.8 | nM | 8.42 | Anti-proliferative activity against human NCI-H226 expressing NF2 mutant assesse... | 36063664 |
| NCI-H2052 | IC50 | = | 7.13 | nM | 8.15 | Anti-proliferative activity against human NCI-H2052 expressing NF2 mutant assess... | 36063664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35763499 | 10.1021/acs.jmedchem.2c00403 | Transcriptional enhancer factor TEF-1 | 2 |
| 35763499 | 10.1021/acs.jmedchem.2c00403 | Transcriptional enhancer factor TEF-4 | 2 |
| 35763499 | 10.1021/acs.jmedchem.2c00403 | Transcriptional enhancer factor TEF-5 | 2 |
| 35763499 | 10.1021/acs.jmedchem.2c00403 | Transcriptional enhancer factor TEF-3 | 2 |
| 35389210 | 10.1021/acs.jmedchem.2c00075 | Transcriptional enhancer factor TEF-1 | 1 |
| 35389210 | 10.1021/acs.jmedchem.2c00075 | Transcriptional enhancer factor TEF-4 | 1 |
| 35763499 | 10.1021/acs.jmedchem.2c00403 | Unchecked | 1 |
| 35763499 | 10.1021/acs.jmedchem.2c00403 | NCI-H226 | 1 |
| 36063664 | 10.1016/j.ejmech.2022.114684 | Transcriptional coactivator YAP1 | 1 |
| 36063664 | 10.1016/j.ejmech.2022.114684 | NCI-H2052 | 1 |
| 36063664 | 10.1016/j.ejmech.2022.114684 | NCI-H226 | 1 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Transcriptional enhancer factor TEF-1 | 1 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine